5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid

C13H14N4O4 — CID 135861440

About 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid

5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid (PubChem CID 135861440) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
• PubChem CID: 135861440
• Molecular Formula: C13H14N4O4
• Molecular Weight: 290.28 g/mol
• Exact Mass: 290.10
• IUPAC Name: 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
• SMILES: Nc1nc2c(c(=O)[nH]1)CN(Cc1ccc(C(=O)O)o1)CC2
• InChI: InChI=1S/C13H14N4O4/c14-13-15-9-3-4-17(6-8(9)11(18)16-13)5-7-1-2-10(21-7)12(19)20/h1-2H,3-6H2,(H,19,20)(H3,14,15,16,18)
• InChIKey: PLDLDBJYBVWGHS-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 125.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.28
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?

The IUPAC name of 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid (CID 135861440) is 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid.

What is the SMILES notation for 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?

The canonical SMILES for 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid is Nc1nc2c(c(=O)[nH]1)CN(Cc1ccc(C(=O)O)o1)CC2.

What is the InChIKey of 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?

The InChIKey is PLDLDBJYBVWGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-13-15-9-3-4-17(6-8(9)11(18)16-13)5-7-1-2-10(21-7)12(19)20/h1-2H,3-6H2,(H,19,20)(H3,14,15,16,18).

What are the key properties of 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?

5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 135861440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).